2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione

C24H36N2O3 — CID 56974133

IUPAC2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCCCCCCCCN1CCOCC1
InChIInChI=1S/C24H36N2O3/c27-23-21-13-9-10-14-22(21)24(28)26(23)16-12-8-6-4-2-1-3-5-7-11-15-25-17-19-29-20-18-25/h9-10,13-14H,1-8,11-12,15-20H2
InChIKeyBDJCKXLJGLEKIO-UHFFFAOYSA-N
MW400.56 g/mol
LogP4.52
Rot. Bonds13

About 2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione

2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione (PubChem CID 56974133) has the molecular formula C24H36N2O3 and a molecular weight of 400.56 g/mol. Its IUPAC name is 2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
PubChem CID56974133
Molecular FormulaC24H36N2O3
Molecular Weight400.56 g/mol
Exact Mass400.27
IUPAC Name2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCCCCCCCCN1CCOCC1
InChIInChI=1S/C24H36N2O3/c27-23-21-13-9-10-14-22(21)24(28)26(23)16-12-8-6-4-2-1-3-5-7-11-15-25-17-19-29-20-18-25/h9-10,13-14H,1-8,11-12,15-20H2
InChIKeyBDJCKXLJGLEKIO-UHFFFAOYSA-N
XLogP4.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.56
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108889443
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108874905
2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione
CID 3620620
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108874898
2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
CID 12612173
2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 2148149
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(8-bromooctyl)isoindole-1,3-dione;2-(8-piperidin-1-yloctyl)isoindole-1,3-dione
CID 19933508
2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4629546
2-[4-(1,3-dihydroisoindol-2-yl)butyl]isoindole-1,3-dione
CID 127052466
6-(1,3-dioxoisoindol-2-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]hexanamide
CID 108754514
6-hydroxy-2-(3-morpholin-4-ylpropyl)benzo[de]isoquinoline-1,3-dione
CID 6125753

Frequently Asked Questions

What is the IUPAC name of 2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione?
The IUPAC name of 2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione (CID 56974133) is 2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione?
The canonical SMILES for 2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCCCCCCCCCCN1CCOCC1.
What is the InChIKey of 2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione?
The InChIKey is BDJCKXLJGLEKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O3/c27-23-21-13-9-10-14-22(21)24(28)26(23)16-12-8-6-4-2-1-3-5-7-11-15-25-17-19-29-20-18-25/h9-10,13-14H,1-8,11-12,15-20H2.
What are the key properties of 2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione?
2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione has a molecular weight of 400.56 g/mol, XLogP of 4.52, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione is sourced from PubChem (CID 56974133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).